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107347-86-4 | Cyclohexanesulfonyl-acetic acid
CAS No: 107347-86-4 Catalog No: AG01FESJ MDL No:MFCD11167618
Product Description
Catalog Number:
AG01FESJ
Chemical Name:
Cyclohexanesulfonyl-acetic acid
CAS Number:
107347-86-4
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
MDL Number:
MFCD11167618
IUPAC Name:
2-cyclohexylsulfonylacetic acid
InChI:
InChI=1S/C8H14O4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChI Key:
LYLDTRQZTMRVIG-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)C1CCCCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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